methyl (6S)-2-(3,4-dihydro-2H-quinolin-1-ylcarbothioylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl (6S)-2-(3,4-dihydro-2H-quinolin-1-ylcarbothioylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl (6S)-2-(3,4-dihydro-2H-quinoline-1-carbothioylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-2-[[3,4-dihydro-2H-quinolin-1-yl(sulfanylidene)methyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl (6S)-2-(3,4-dihydro-2H-quinoline-1-carbothioylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-2-(3,4-dihydro-2H-quinoline-1-carbothioylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C21H24N2O2S2 MolecularWeight: 400.55746

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)N3CCCC4=CC=CC=C43

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)N3CCCC4=CC=CC=C43

InChI

InChI=1S/C21H24N2O2S2/c1-13-9-10-15-17(12-13)27-19(18(15)20(24)25-2)22-21(26)23-11-5-7-14-6-3-4-8-16(14)23/h3-4,6,8,13H,5,7,9-12H2,1-2H3,(H,22,26)/t13-/m0/s1